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6417-36-3

6417-36-3 structural image
Product Name: Mordant Red 21
Formula: C36H26N4Na2O9S2
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COMPUTED DESCRIPTORS

Molecular Weight 768.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 7
Exact Mass 768.09365933 g/mol
Monoisotopic Mass 768.09365933 g/mol
Topological Polar Surface Area 226 Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1440
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes